KST-1A6448
TL;DR: KST-1A6448 (CAS 605-92-5) is a chemical compound with molecular formula C12H13N5O5S2 and molecular weight 371.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R)-7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: KST-1A6448, (7r)-7-amino-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (7R)-7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C12H13N5O5S2 |
|---|---|
| Molecular Weight | 371.04 g/mol |
| LogP | -3.8 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.0358 |
| Heavy Atoms | 24 |
| Complexity | 721.0 |
Chemical Identifiers
| CAS Number | 605-92-5 |
|---|---|
| SMILES | CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)N)SC2)C(=O)O |
| InChIKey | YTUNICCSPPTMJY-UYBGKAFVSA-N |
Product Overview
KST-1A6448 (CAS 605-92-5), with molecular formula C12H13N5O5S2 and molecular weight 371.04 g/mol. IUPAC: (7R)-7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of KST-1A6448
Property Insights of KST-1A6448
The XLogP value of -3.8 indicates that KST-1A6448 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 196.0 Ų indicates high polarity, suggesting KST-1A6448 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1A6448 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A6448?
The CAS number of KST-1A6448 is 605-92-5.
What is the molecular formula of KST-1A6448?
The molecular formula of KST-1A6448 is C12H13N5O5S2.
What is the molecular weight of KST-1A6448?
The molecular weight of KST-1A6448 is 371.04 g/mol.
Where can I buy KST-1A6448?
You can request a quote for KST-1A6448 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A6448?
Yes, KEHONG BIO provides custom synthesis services for KST-1A6448 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.